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5-chloranyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid

5-chloranyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid

Systemtic Name:5-chloranyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid
Openeye Name:5-chloro-1-(2-methyl-3-sulfanyl-propanoyl)indoline-2-carboxylic acid
CAS Name:5-chloro-1-(3-mercapto-2-methyl-1-oxopropyl)-2,3-dihydroindole-2-carboxylic acid
IUPAC Name:5-chloro-1-(2-methyl-3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylic acid
Traditional Name:5-chloro-1-(3-mercapto-2-methyl-propanoyl)indoline-2-carboxylic acid
Formula: C13H14ClNO3S
MolecularWeight: 299.77316
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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(CC2=C1C=CC(=C2)Cl)C(=O)O


Isomeric SMILES

CC(CS)C(=O)N1C(CC2=C1C=CC(=C2)Cl)C(=O)O


InChI

InChI=1S/C13H14ClNO3S/c1-7(6-19)12(16)15-10-3-2-9(14)4-8(10)5-11(15)13(17)18/h2-4,7,11,19H,5-6H2,1H3,(H,17,18)


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